A robotic platform for flow synthesis of organic compounds informed by AI planning

Author:

Coley Connor W.1ORCID,Thomas Dale A.12ORCID,Lummiss Justin A. M.3,Jaworski Jonathan N.3ORCID,Breen Christopher P.3ORCID,Schultz Victor1ORCID,Hart Travis1ORCID,Fishman Joshua S.2ORCID,Rogers Luke1ORCID,Gao Hanyu1ORCID,Hicklin Robert W.3,Plehiers Pieter P.1,Byington Joshua1,Piotti John S.2,Green William H.1ORCID,Hart A. John2ORCID,Jamison Timothy F.3ORCID,Jensen Klavs F.1ORCID

Affiliation:

1. Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA.

2. Department of Mechanical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA.

3. Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA.

Abstract

Pairing prediction and robotic synthesis Progress in automated synthesis of organic compounds has been proceeding along parallel tracks. One goal is algorithmic prediction of viable routes to a desired compound; the other is implementation of a known reaction sequence on a platform that needs little to no human intervention. Coley et al. now report preliminary integration of these two protocols. They paired a retrosynthesis prediction algorithm with a robotically reconfigurable flow apparatus. Human intervention was still required to supplement the predictor with practical considerations such as solvent choice and precise stoichiometry, although predictions should improve as accessible data accumulate for training. Science , this issue p. eaax1566

Funder

Defense Sciences Office, DARPA

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

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